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DOE OSTI2020

Phase Inversion in a Two-phase, BCC+B2, Refractory High Entropy Alloy

A phenomenon of "phase inversion", presumably the first ever experimental evidence in metallic alloys, is shown in a refractory high entropy alloy (RHEA), Al0.5NbTa0.8Ti1.5V0.2Zr. Phase inversion in crystalline solid systems is driven by the differences in elastic modulus of the two phases. Quenching from a high-temperature single phase field, the RHEA exhibits a co-continuous mixture of a disordered BCC and an ordered B2 phase, that upon isothermal annealing at 600°C develops via spinodal decomposition into a continuous B2 matrix with discrete cuboidal BCC precipitates aligned along the <001> directions. Longer term annealing at 600°C results in the development of necking constrictions along the B2 channels, eventually pinching-off these channels and making the BCC phase continuous with discrete B2 precipitates. This inversion the process can be related to the simultaneous operation of two processes:(i) spheroidization of the initially discrete cuboidal BCC precipitates driven by a reduction in the total interface energy and (ii) an increase in the stiffness of the B2 phase, relative to the BCC phase, due to chemical composition changes during annealing, forcing the B2 regions to become discrete driven by the reduction in the total elastic strain energy.

Soni, Vishal↗

DOE OSTI2021

Optimizing the differential connection schemes for detecting 3D magnetic perturbations in DIII-D

Optimizing the differential pair connection scheme (i.e. the set of pairs) of a toroidal array of magnetic sensors dedicated to measuring slowly rotating asymmetric fields can enhance the mode number detection capability and failure-resilience. In this work the condition number obtained from singular value decomposition (SVD) of the design matrix is used as a metric to evaluate the quality of a connection scheme. A large number of possible pair connections are usually available, so evaluating all of them may require extensive use of computational resources and can be very time consuming. Alternative methods to reduce the number of pairs evaluated without losing the capabilities of toroidal mode detection are presented in this paper. Here, three examples of the applications of such analysis for the 3D magnetic diagnostic system of DIII-D are also presented: the addition of two new toroidal arrays with n > 3 detection capabilities, the modification of an existing toroidal array in the low field side of the machine to accommodate the addition of a helicon antenna, and the design of changes in several toroidal arrays in the high field side to accommodate the addition of a lower hybrid current drive antenna on the center post.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Dynamic mode decomposition with core sketch

With the increase in collected data volumes, either from experimental measurements or high fidelity simulations, there is an ever-growing need to develop computationally efficient tools to process, analyze, and interpret these datasets. Modal analysis techniques have gained great interest due to their ability to identify patterns in the data and extract valuable information about the system being considered. Dynamic mode decomposition (DMD) relies on elements of the Koopman approximation theory to compute a set of modes, each associated with a fixed oscillation frequency and a decay/growth rate. Extracting these details from large datasets can be computationally expensive due to the need to implement singular value decomposition of the input data matrix. Sketching algorithms have become popular in numerical linear algebra where statistical theoretic approaches are utilized to reduce the cost of major operations. A sketch of a matrix is another matrix, which is significantly smaller, but still sufficiently approximates the original system. We put forth an efficient DMD framework, SketchyDMD, based on a core sketching algorithm that captures information about the range and corange (their mutual relationship) of input data. The proposed sketching-based framework can accelerate various portions of the DMD routines, compared to classical methods that operate directly on the raw input data. We conduct numerical experiments using the spherical shallow water equations as a prototypical model in the context of geophysical flows. In conclusion, we show that the proposed SketchyDMD is superior to existing randomized DMD methods that are based on capturing only the range of the input data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Data-Driven Compression of Electron-Phonon Interactions

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon ( e − ph ) interactions being a prime example. However, these techniques use large matrices encoding the interactions on dense momentum grids, which reduces computational efficiency and obscures interpretability. For e − ph interactions, existing interpolation techniques leverage locality in real space, but the high dimensionality of the data remains a bottleneck to balance cost and accuracy. Here we show an efficient way to compress e − ph interactions based on singular value decomposition (SVD), a widely used matrix and image compression technique. Leveraging (un)constrained SVD methods, we accurately predict material properties related to e − ph interactions—including charge mobility, spin relaxation times, band renormalization, and superconducting critical temperature—while using only a small fraction (1%–2%) of the interaction data. These findings unveil the hidden low-dimensional nature of e − ph interactions. Furthermore, they accelerate state-of-the-art first-principles e − ph calculations by about 2 orders of magnitude without sacrificing accuracy. Our Pareto-optimal parametrization of e − ph interactions can be readily generalized to electron-electron and electron-defect interactions, as well as to other couplings, advancing quantitative studies of condensed matter. Published by the American Physical Society 2024

Physics↗

DOE OSTI2026

A Flexible Forwarding Scheme to Improve Latency-Bound Irregular P2P Communication in MPI

We propose an algorithm to efficiently perform latency-bound communication scenarios that consist of many small messages. In these parallel scenarios, processes typically pass around a lot of small-sized messages of a few KBs of size. Performing communication operations with P2P MPI routines or collective MPI routines (including neighborhood collectives) in such scenarios may not always yield the optimal results and may not resolve the latency bottleneck. To this end, we develop a regular structure called virtual process topology (VPT) on which the messages can be communicated in a structured and controlled manner. Using parameters of this topology, one can tune the rate of aggression in tackling the latency costs. We demonstrate that our communication algorithm is preferable to MPI P2P and collective routines for latency-bound communication and it can easily be adapted only by replacing calls to MPI routines in a parallel application. We show how to adapt existing topology-aware mapping heuristics to address the volume overhead due to communicating messages on the VPT. Moreover, we propose a novel swap-based mapping heuristic to address this overhead by optimizing the maximum volume handled by a process. Experiments on synthetic communication graphs as well as real-world applications such as parallel Canonical Polyadic sparse tensor decomposition and parallel sparse matrix-dense matrix multiplication show that our approach is a powerful way of overcoming the bottlenecks posed by sparse and latency-bound irregular communication.

communication algorithm↗

DOE OSTI2021

(U) A Linear Response Model Predicts Reactivity From a Density Profile

We tested the ability to predict the system reactivity, described by alpha, given a density profile using a simple linear system response. We generated a suite of 1-dimensional density profiles that consisted of nominal density, a discontinuity, and a decay. These profiles were prescribed a functional form and the mass was conserved in all cases. From these density profiles, we calculated the alpha value of the 3-dimensional system.We calculated a linear response function given a training set of the 1-dimensional density profiles, and the system reactivity described by alpha. We tested the robustness of the response function using the remaining test data. Our results showed very good agreement between the predicted and calculated test values, where the distribution of alpha differences was centered about zero and had a standard deviation of 0.005 gens/shake. The predicted and calculated alpha values did not significantly differ (t=-0.0009 p<0.99). We used Singular Value Decomposition (SVD) to reduce the matrix rank by retaining95% of the cumulative singular value contributions. This reduced the matrix rank by 91.7%. We generated the linear response matrix and calculated the difference between the predicted and calculated alpha values. Using the reduced order matrix, we showed good agreement between the predicted and calculated alpha values where the distribution of differences was centered near zero, the standard deviation was 0.006 gens/shake, and the statistical t-test showed good agreement (t=0.02, p<0.98). These results show a linear relationship between a series of 1-dimensional density profiles,where the mass was conserved, and the system reactivity. The next steps of this work will be to investigate the linear response using 2-dimensional density profiles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1986

Model-size reduction for the buckling and vibration analyses of anisotropic panels

A computational procedure is presented for reducing the size of the model used in the buckling and vibration analyses of symmetric anisotropic panels to that of the corresponding orthotropic model. The key elements of the procedure are the application of an operator splitting technique through the decomposition of the material stiffness matrix of the panel into the sum of orthotropic and nonorthotropic (anisotropic) parts and the use of a reduction method through successive application of the finite element method and the classical Rayleigh-Ritz technique. The effectiveness of the procedure is demonstrated by numerical examples.

Noor, A. K.↗

NASA NTRS1986

Optimally robust redundancy relations for failure detection in uncertain systems

All failure detection methods are based, either explicitly or implicitly, on the use of redundancy, i.e. on (possibly dynamic) relations among the measured variables. The robustness of the failure detection process consequently depends to a great degree on the reliability of the redundancy relations, which in turn is affected by the inevitable presence of model uncertainties. In this paper the problem of determining redundancy relations that are optimally robust is addressed in a sense that includes several major issues of importance in practical failure detection and that provides a significant amount of intuition concerning the geometry of robust failure detection. A procedure is given involving the construction of a single matrix and its singular value decomposition for the determination of a complete sequence of redundancy relations, ordered in terms of their level of robustness. This procedure also provides the basis for comparing levels of robustness in redundancy provided by different sets of sensors.

Lou, X.-C.↗

NASA NTRS1987

Catalytic Layer Makes Aircraft Seats More Fire Retardant

Specially constructed cushion retards fires in aircraft seats through action of catalytic matrix that cracks flammable gaseous decomposition products to less flammable species. Improved cushion contributes substantially to fire safety without adding significantly to weight or to manufacturing cost. In this fire-blocking covering for an aircraft seat cushion, flammable pyrolysis products cracked to less flammable species by catalytic layer covering foam core of cushion. Aluminum foil holds in pyrolysis vapors to promote catalysis and prevent spread of fire by ignition of released vapors.

Parker, John A.↗

NASA NTRS1988

Experimental verification of a large flexible manipulator

A large experimental lightweight manipulator would be useful for material handling, for welding, or for ultrasonic inspection of a large structure, such as an airframe. The flexible parallel link mechanism is designed for high rigidity without increasing weight. This constrained system is analyzed by singular value decomposition of the constraint Jacobian matrix. A verification of the modeling using the assumed mode method is presented. Eigenvalues and eigenvectors of the linearized model are compared to the measured system natural frequencies and their associated mode shapes. The modeling results for large motions are compared to the time response data from the experiments. The hydraulic actuator is verified.

Lee, Jac Won↗

NASA NTRS1990

Dynamic Analysis and Control of Lightweight Manipulators with Flexible Parallel Link Mechanisms

The objective is the theoretical analysis and the experimental verification of dynamics and control of a two link flexible manipulator with a flexible parallel link mechanism. Nonlinear equations of motion of the lightweight manipulator are derived by the Lagrangian method in symbolic form to better understand the structure of the dynamic model. The resulting equation of motion have a structure which is useful to reduce the number of terms calculated, to check correctness, or to extend the model to higher order. A manipulator with a flexible parallel link mechanism is a constrained dynamic system whose equations are sensitive to numerical integration error. This constrained system is solved using singular value decomposition of the constraint Jacobian matrix. Elastic motion is expressed by the assumed mode method. Mode shape functions of each link are chosen using the load interfaced component mode synthesis. The discrepancies between the analytical model and the experiment are explained using a simplified and a detailed finite element model.

Lee, Jeh Won↗

NASA NTRS1991

Dynamic analysis and control of lightweight manipulators with flexible parallel link mechanisms

The flexible parallel link mechanism is designed for increased rigidity to sustain the buckling when it carries a heavy payload. Compared to a one link flexible manipulator, a two link flexible manipulator, especially the flexible parallel mechanism, has more complicated characteristics in dynamics and control. The objective of this research is the theoretical analysis and the experimental verification of dynamics and control of a two link flexible manipulator with a flexible parallel link mechanism. Nonlinear equations of motion of the lightweight manipulator are derived by the Lagrangian method in symbolic form to better understand the structure of the dynamic model. A manipulator with a flexible parallel link mechanism is a constrained dynamic system whose equations are sensitive to numerical integration error. This constrained system is solved using singular value decomposition of the constraint Jacobian matrix. The discrepancies between the analytical model and the experiment are explained using a simplified and a detailed finite element model. The step response of the analytical model and the TREETOPS model match each other well. The nonlinear dynamics is studied using a sinusoidal excitation. The actuator dynamic effect on a flexible robot was investigated. The effects are explained by the root loci and the Bode plot theoretically and experimentally. For the base performance for the advanced control scheme, a simple decoupled feedback scheme is applied.

Lee, Jeh Won↗

NASA NTRS2000

Application of a Reduced Order Kalman Filter to Initialize a Coupled Atmosphere-Ocean Model: Impact on the Prediction of El Nino

A reduced order Kalman Filter, based on a simplification of the Singular Evolutive Extended Kalman (SEEK) filter equations, is used to assimilate observed fields of the surface wind stress, sea surface temperature and sea level into the nonlinear coupled ocean-atmosphere model. The SEEK filter projects the Kalman Filter equations onto a subspace defined by the eigenvalue decomposition of the error forecast matrix, allowing its application to high dimensional systems. The Zebiak and Cane model couples a linear reduced gravity ocean model with a single vertical mode atmospheric model of Zebiak. The compatibility between the simplified physics of the model and each observed variable is studied separately and together. The results show the ability of the model to represent the simultaneous value of the wind stress, SST and sea level, when the fields are limited to the latitude band 10 deg S - 10 deg N. In this first application of the Kalman Filter to a coupled ocean-atmosphere prediction model, the sea level fields are assimilated in terms of the Kelvin and Rossby modes of the thermocline depth anomaly. An estimation of the error of these modes is derived from the projection of an estimation of the sea level error over such modes. This method gives a value of 12 for the error of the Kelvin amplitude, and 6 m of error for the Rossby component of the thermocline depth. The ability of the method to reconstruct the state of the equatorial Pacific and predict its time evolution is demonstrated. The method is shown to be quite robust for predictions I up to six months, and able to predict the onset of the 1997 warm event fifteen months before its occurrence.

Ballabrera-Poy, Joaquim↗

NASA NTRS2000

Application of a Reduced Order Kalman Filter to Initialize a Coupled Atmosphere-Ocean Model: Impact on the Prediction of El Nino

A reduced order Kalman Filter, based on a simplification of the Singular Evolutive Extended Kalman (SEEK) filter equations, is used to assimilate observed fields of the surface wind stress, sea surface temperature and sea level into the nonlinear coupled ocean-atmosphere model of Zebiak and Cane. The SEEK filter projects the Kalman Filter equations onto a subspace defined by the eigenvalue decomposition of the error forecast matrix, allowing its application to high dimensional systems. The Zebiak and Cane model couples a linear reduced gravity ocean model with a single vertical mode atmospheric model of Zebiak. The compatibility between the simplified physics of the model and each observed variable is studied separately and together. The results show the ability of the model to represent the simultaneous value of the wind stress, SST and sea level, when the fields are limited to the latitude band 10 deg S - 10 deg N In this first application of the Kalman Filter to a coupled ocean-atmosphere prediction model, the sea level fields are assimilated in terms of the Kelvin and Rossby modes of the thermocline depth anomaly. An estimation of the error of these modes is derived from the projection of an estimation of the sea level error over such modes. This method gives a value of 12 for the error of the Kelvin amplitude, and 6 m of error for the Rossby component of the thermocline depth. The ability of the method to reconstruct the state of the equatorial Pacific and predict its time evolution is demonstrated. The method is shown to be quite robust for predictions up to six months, and able to predict the onset of the 1997 warm event fifteen months before its occurrence.

Ballabrera-Poy, J.↗

NASA NTRS2004

Thermostructural Analysis of Carbon Cloth Phenolics "Ply Lifting" and Correlation to LHMEL Test Results

This paper provides a discussion of the history of Carbon Cloth Phenolic (CCP) ply lifting in the Redesigned Solid Rocket Motor (RSRM) Program, a brief presentation of theoretical methods used for analytical evaluation, and results of parametric analyses of CCP material subject to test conditions of the Laser Hardened Material Evaluation Laboratory. CCP ply lift can occur in regions of the RSRM nozzle where ply angle to flame surface is generally less than about 20 degrees. There is a heat rate dependence on likelihood and severity of the condition with the higher heating rates generally producing more ply lift. The event occurs in-depth, near the heated surface, where the load necessary to mechanically separate the CCP plies is produced by the initial stages of pyrolysis gas generation due to the thermal decomposition of the phenolic resin matrix. Due to the shallow lay-up angle of the composite, normal components of the indepth mechanical load, due to "pore pressure", are imparted primarily as a cross-ply tensile force on the interlaminar ply boundaries. Tensile capability in the cross-ply (out of plane) direction is solely determined by the matrix material capability. The elevated temperature matrix material capabilities are overcome by pressure induced mechanical normal stress and ply-lift occurs. A theoretical model used for CCP in-depth temperature, pressure, and normal stress prediction, based on first principles, is briefly discussed followed by a parametric evaluation of response variables subject to boundary conditions typical of on-going test programs at the LHMEL facility. Model response demonstrates general trends observed in test and provides insight into the interactivity of material properties and constitutive relationships.

Clayton, Louie↗

NASA NTRS2007

Wavefront Control Toolbox for James Webb Space Telescope Testbed

We have developed a Matlab toolbox for wavefront control of optical systems. We have applied this toolbox to the optical models of James Webb Space Telescope (JWST) in general and to the JWST Testbed Telescope (TBT) in particular, implementing both unconstrained and constrained wavefront optimization to correct for possible misalignments present on the segmented primary mirror or the monolithic secondary mirror. The optical models implemented in Zemax optical design program and information is exchanged between Matlab and Zemax via the Dynamic Data Exchange (DDE) interface. The model configuration is managed using the XML protocol. The optimization algorithm uses influence functions for each adjustable degree of freedom of the optical mode. The iterative and non-iterative algorithms have been developed to converge to a local minimum of the root-mean-square (rms) of wavefront error using singular value decomposition technique of the control matrix of influence functions. The toolkit is highly modular and allows the user to choose control strategies for the degrees of freedom to be adjusted on a given iteration and wavefront convergence criterion. As the influence functions are nonlinear over the control parameter space, the toolkit also allows for trade-offs between frequency of updating the local influence functions and execution speed. The functionality of the toolbox and the validity of the underlying algorithms have been verified through extensive simulations.

Shiri, Ron↗

NASA NTRS2021

Evaluation of Higher-order Quadrature Schemes in Improving Computational Efficiency for Orientation-averaged Single-Scattering Properties of Nonspherical Ice Particles

We evaluate several high-order quadrature schemes for accuracy and efficacy in obtaining orientation-averaged single-scattering properties (SSPs). We use the highly efficient MIDAS to perform electromagnetic scattering calculations to evaluate the gain in efficiency from these schemes. MIDAS is shown to be superior to DDSCAT, a popular discrete dipole approximation (DDA) method. This study is motivated by the fact that quality physical precipitation retrievals rely on using accurate orientation-averaged SSPs derived from realistic hydrometeors as input to radiative transfer Models (RTMs). The DDA has been a popular choice for single-scattering calculations, due to its versatility with respect to target geometry. However, being iterative-solver-based (ISB), the most used DDA codes, e.g. DDSCAT and ADDA, must solve the scattering problem for each orientation of the target separately. As the size parameter and geometric anisotropy of the hydrometeor increase, the number of orientations needed to obtain accurate orientation-averages can increase drastically and so does the computation cost incurred by the ISB-DDA methods. MIDAS is a Direct-Solver-Based (DSB) code, its decomposition of the original large matrix with a high rank into multiple more manageable smaller matrices of lower ranks makes it much more computationally efficient while maintaining excellent accuracy. In addition, direct solvers consider all requested orientations at once, giving MIDAS further advantage over popular ISB-DDA methods. MIDAS, when combined with high-order quadrature for orientation averaging, can be greater than three orders of magnitude more efficient in obtaining RTM-ready SSPs of complex-shaped hydrometeors than existing ISB-DDA methods, with the native quadrature schemes they offer.

Ines Fenni↗

NASA NTRS1975

Multirate sampled-data systems analysis via vector operators

The primary difficulties of both the time-domain switch decomposition method and the frequency-domain decomposition method are overcome by introducing certain matrix operators and performing spectral factorization of resulting matrices of polynomials in the z-transform variable. Topological operations of the switch-decomposition method are simplified. This new approach eliminates the need to solve a system of equations with rational polynomial coefficients such as arises in the frequency-decomposition method. The determination of a multirate sampled-data system's characteristic polynomial no longer requires the evaluation of a determinant of rational polynomial elements. New results on obtaining modified z-transforms from standard z-transforms at a faster rate and vice versa are presented.

Boykin, W. H.↗